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Water in an External Electric Field: Comparing Charge Distribution Methods Using ReaxFF Simulations.

Authors :
Koski, Jason P.
Moore, Stan G.
Clay, Raymond C.
O'Hearn, Kurt A.
Aktulga, H. Metin
Wilson, Mark A.
Rackers, Joshua A.
Lane, J. Matthew D.
Modine, Normand A.
Source :
Journal of Chemical Theory & Computation; 1/11/2022, Vol. 18 Issue 1, p580-594, 15p
Publication Year :
2022

Details

Language :
English
ISSN :
15499618
Volume :
18
Issue :
1
Database :
Supplemental Index
Journal :
Journal of Chemical Theory & Computation
Publication Type :
Academic Journal
Accession number :
155997847
Full Text :
https://doi.org/10.1021/acs.jctc.1c00975